3-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide

C12H15ClN2O2 — CID 66482577

IUPAC3-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCC1CCCO1)c1ccncc1Cl
InChIInChI=1S/C12H15ClN2O2/c13-11-8-14-5-4-10(11)12(16)15-6-3-9-2-1-7-17-9/h4-5,8-9H,1-3,6-7H2,(H,15,16)
InChIKeyCMNLTQZFHBLNQE-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.03
Rot. Bonds4

About 3-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide

3-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide (PubChem CID 66482577) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 3-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
PubChem CID66482577
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name3-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCC1CCCO1)c1ccncc1Cl
InChIInChI=1S/C12H15ClN2O2/c13-11-8-14-5-4-10(11)12(16)15-6-3-9-2-1-7-17-9/h4-5,8-9H,1-3,6-7H2,(H,15,16)
InChIKeyCMNLTQZFHBLNQE-UHFFFAOYSA-N
XLogP2.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 80707090
4-(ethylamino)-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 81240671
4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81225863
3-chloro-N-[2-[(3R)-oxolan-3-yl]ethyl]pyridine-4-carboxamide
CID 124679731
3,4-dichloro-2-hydroxy-N-[2-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 97010668
3-chloro-N-(3-cyclopentylpropyl)pyridine-4-carboxamide
CID 103714800
4-chloro-2-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 42950494
2-chloro-6-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 110731260
4-chloro-3-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 65372937
3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride
CID 119557407
3-fluoro-2-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 105385671
4-[2-(oxolan-2-yl)ethylamino]pyridine-3-carboxylic acid
CID 81244837

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide (CID 66482577) is 3-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide is O=C(NCCC1CCCO1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is CMNLTQZFHBLNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-11-8-14-5-4-10(11)12(16)15-6-3-9-2-1-7-17-9/h4-5,8-9H,1-3,6-7H2,(H,15,16).
What are the key properties of 3-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide?
3-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 254.72 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 66482577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).